1.0 2010-04-08 22:15:06 UTC 2019-11-26 03:19:07 UTC FDB020557 Heliocide B2 Constituent of Gossypium species Heliocide B2 is found in fats and oils. Heliocide B2 C26H32O5 424.5293 424.224974134 2-hydroxy-3-methoxy-10a-methyl-7-(4-methylpent-3-en-1-yl)-9,10-dioxo-4-(propan-2-yl)-5,8,8a,9,10,10a-hexahydroanthracene-1-carbaldehyde 2-hydroxy-4-isopropyl-3-methoxy-10a-methyl-7-(4-methylpent-3-en-1-yl)-9,10-dioxo-8,8a-dihydro-5H-anthracene-1-carbaldehyde 69734-89-0 COC1=C(O)C(C=O)=C2C(=O)C3CC(CCC=C(C)C)=CCC3(C)C(=O)C2=C1C(C)C InChI=1S/C26H32O5/c1-14(2)8-7-9-16-10-11-26(5)18(12-16)23(29)20-17(13-27)22(28)24(31-6)19(15(3)4)21(20)25(26)30/h8,10,13,15,18,28H,7,9,11-12H2,1-6H3 FGQZFAWOAMMXKN-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxyanthraquinones. Hydroxyanthraquinones are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group. Hydroxyanthraquinones Organic compounds Benzenoids Anthracenes Anthraquinones Aromatic homopolycyclic compounds Alkyl aryl ethers Anisoles Aryl alkyl ketones Aryl-aldehydes Hydrocarbon derivatives Organic oxides Quinones Sesquiterpenoids Tetralins Vinylogous acids Aldehyde Alkyl aryl ether Anisole Aromatic homopolycyclic compound Aryl alkyl ketone Aryl ketone Aryl-aldehyde Cadinane sesquiterpenoid Ether Hydrocarbon derivative Hydroxyanthraquinone Ketone Organic oxide Organic oxygen compound Organooxygen compound Quinone Sesquiterpenoid Tetralin Vinylogous acid logp 4.35 ALOGPS logs -5.08 ALOGPS solubility 3.49e-03 g/l ALOGPS logp 5.89 ChemAxon pka_strongest_acidic 6.98 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-hydroxy-3-methoxy-10a-methyl-7-(4-methylpent-3-en-1-yl)-9,10-dioxo-4-(propan-2-yl)-5,8,8a,9,10,10a-hexahydroanthracene-1-carbaldehyde ChemAxon average_mass 424.5293 ChemAxon mono_mass 424.224974134 ChemAxon smiles COC1=C(O)C(C=O)=C2C(=O)C3CC(CCC=C(C)C)=CCC3(C)C(=O)C2=C1C(C)C ChemAxon formula C26H32O5 ChemAxon inchi InChI=1S/C26H32O5/c1-14(2)8-7-9-16-10-11-26(5)18(12-16)23(29)20-17(13-27)22(28)24(31-6)19(15(3)4)21(20)25(26)30/h8,10,13,15,18,28H,7,9,11-12H2,1-6H3 ChemAxon inchikey FGQZFAWOAMMXKN-UHFFFAOYSA-N ChemAxon polar_surface_area 80.67 ChemAxon refractivity 124.58 ChemAxon polarizability 48.38 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13041 Specdb::CMs 46942 Specdb::CMs 166273 Specdb::MsMs 294634 Specdb::MsMs 294635 Specdb::MsMs 294636 Specdb::MsMs 335416 Specdb::MsMs 335417 Specdb::MsMs 335418 Specdb::MsMs 2318798 Specdb::MsMs 2318799 Specdb::MsMs 2318800 Specdb::MsMs 2617391 Specdb::MsMs 2617392 Specdb::MsMs 2617393 HMDB40747 #<Reference:0x000055ce32348068> Fats and oils Unknown generic